 Home > Encyclopedia > (2R,4S,5R,6R)-5-acetamido-2-(3,4-dimethylpyridin-1-ium-1-yl)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate

(2R,4S,5R,6R)-5-acetamido-2-(3,4-dimethylpyridin-1-ium-1-yl)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate

(2R,4S,5R,6R)-5-acetamido-2-(3,4-dimethylpyridin-1-ium-1-yl)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate structure

CAS No:
300595-03-3
Formula:
C18H26N2O8
Chemical Name:
(2R,4S,5R,6R)-5-acetamido-2-(3,4-dimethylpyridin-1-ium-1-yl)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Synonyms:
NeuNAc-3,4-dimethylpyridine;300595-03-3;DTXSID00349365;Pyridinium, 1-(N-acetyl-alpha-neuraminosyl)-3,4-dimethyl-, inner salt (9CI)

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(2R,4S,5R,6R)-5-acetamido-2-(3,4-dimethylpyridin-1-ium-1-yl)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate Basic Attributes

Molecular Weight：

398.4 g/mol

Exact Mass：

398.16891579 g/mol

DSSTox ID：

DTXSID00349365

Characteristics

PSA：

163 Å²

Computed Properties

Molecular Weight:398.4
XLogP3:-0.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:398.16891579
Monoisotopic Mass:398.16891579
Topological Polar Surface Area:163
Heavy Atom Count:28
Complexity:570
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2R,4S,5R,6R)-5-acetamido-2-(3,4-dimethylpyridin-1-ium-1-yl)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate

Basic Attributes
Characteristics
Computed Properties

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